1-(3-chlorophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]ethanone

C14H14ClNOS — CID 62053358

IUPAC1-(3-chlorophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]ethanone
SMILESCN(CC(=O)c1cccc(Cl)c1)Cc1cccs1
InChIInChI=1S/C14H14ClNOS/c1-16(9-13-6-3-7-18-13)10-14(17)11-4-2-5-12(15)8-11/h2-8H,9-10H2,1H3
InChIKeyKDNBZIKEMAKZBI-UHFFFAOYSA-N
MW279.79 g/mol
LogP3.72
Rot. Bonds5

About 1-(3-chlorophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]ethanone

1-(3-chlorophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]ethanone (PubChem CID 62053358) has the molecular formula C14H14ClNOS and a molecular weight of 279.79 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]ethanone.

Molecular Properties

Compound Name1-(3-chlorophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]ethanone
PubChem CID62053358
Molecular FormulaC14H14ClNOS
Molecular Weight279.79 g/mol
Exact Mass279.05
IUPAC Name1-(3-chlorophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]ethanone
SMILESCN(CC(=O)c1cccc(Cl)c1)Cc1cccs1
InChIInChI=1S/C14H14ClNOS/c1-16(9-13-6-3-7-18-13)10-14(17)11-4-2-5-12(15)8-11/h2-8H,9-10H2,1H3
InChIKeyKDNBZIKEMAKZBI-UHFFFAOYSA-N
XLogP3.72
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.79
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(3-chlorophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-chlorophenyl)-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]ethanone
CID 79486408
1-(4-methylphenyl)-2-[methyl(thiophen-2-ylmethyl)amino]ethanone
CID 60650537
1-(2,5-dichlorothiophen-3-yl)-2-[methyl(thiophen-2-ylmethyl)amino]ethanone
CID 62050817
1-(3-chlorophenyl)-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]ethanone
CID 62050486
1-(3-chlorophenyl)-2-[(4-fluorophenyl)methyl-methylamino]ethanone
CID 62030758
1-(3-chlorophenyl)-2-(dimethylamino)ethanone
CID 10998918
1-(3-bromophenyl)-2-[(3-chlorophenyl)methyl-methylamino]ethanone
CID 62051685
2-[methyl(thiophen-2-ylmethyl)amino]-1-(4-propylphenyl)ethanone
CID 60650562
1-(3-chlorophenyl)-2-[ethyl(thiophen-2-ylmethyl)amino]propan-1-one
CID 62037712
3-[[[2-(3-chlorophenyl)-2-oxoethyl]-methylamino]methyl]benzonitrile
CID 62983254
1-(3-chlorophenyl)-2-[methyl(pyridin-2-ylmethyl)amino]ethanone
CID 62052783
1-(3-methoxyphenyl)-2-[methyl(2-thiophen-2-ylethyl)amino]ethanone
CID 79486262

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]ethanone?
The IUPAC name of 1-(3-chlorophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]ethanone (CID 62053358) is 1-(3-chlorophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]ethanone.
What is the SMILES notation for 1-(3-chlorophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]ethanone?
The canonical SMILES for 1-(3-chlorophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]ethanone is CN(CC(=O)c1cccc(Cl)c1)Cc1cccs1.
What is the InChIKey of 1-(3-chlorophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]ethanone?
The InChIKey is KDNBZIKEMAKZBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNOS/c1-16(9-13-6-3-7-18-13)10-14(17)11-4-2-5-12(15)8-11/h2-8H,9-10H2,1H3.
What are the key properties of 1-(3-chlorophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]ethanone?
1-(3-chlorophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]ethanone has a molecular weight of 279.79 g/mol, XLogP of 3.72, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]ethanone is sourced from PubChem (CID 62053358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).